Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 2/20 | 0.41 |
| ▸ | CES1 | P23141 | 2/20 | 0.41 |
| ▸ | SLC6A2 | P23975 | 3/20 | 0.35 |
| ▸ | HTR2A | P28223 | 2/20 | 0.33 |
| ▸ | HTR2C | P28335 | 2/20 | 0.33 |
| ▸ | HTR2B | P41595 | 2/20 | 0.33 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.33 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.33 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.33 |
| ▸ | MC4R | P32245 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | IDO1 | P14902 | 2/20 | 0.33 |
| ▸ | TDO2 | P48775 | 1/20 | 0.33 |
| ▸ | IDH1 | O75874 | 1/20 | 0.32 |
| ▸ | OXTR | P30559 | 1/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.31 |
| ▸ | MLNR | O43193 | 1/20 | 0.31 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.31 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.31 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL9005063 | 1.00 | CES2 (0.41) | CES2CES1SLC6A2HTR2AHTR2C | |
| SCHEMBL8580398 | 1.00 | CES2 (0.41) | CES2CES1SLC6A2HTR2AHTR2C | |
| SCHEMBL8579039 | 0.80 | CYP3A4 (0.34) | CES2CES1MC4RCYP3A4IDO1 | |
| SCHEMBL8581474 | 0.80 | CYP3A4 (0.34) | CES2CES1MC4RCYP3A4IDO1 | |
| SCHEMBL8780966 | 0.80 | CYP3A4 (0.34) | CES2CES1MC4RCYP3A4IDO1 | |
| SCHEMBL11623766 | 0.74 | HTR2C (0.40) | HTR2CSLC6A4SLC6A3 | |
| SCHEMBL5718531 | 0.73 | CES2 (0.32) | CES2CES1 | |
| SCHEMBL8411824 | 0.71 | CES2 (0.46) | CES2CES1SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL8718599 | 0.71 | CES2 (0.41) | CES2CES1SLC6A2HTR2AHTR2C | |
| SCHEMBL12303658 | 0.70 | CES2 (0.49) | CES2CES1SLC6A2SLC6A4SLC6A3 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5814324-A | OIL IN WATER EMULSION COMPRISING ANTIFUNGAL TRIAZOLE COMPOUND DISPERSED IN WATER WITH FATTY ACID TRIGLYCERIDE, LECITHIN EMULSIFIER | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1998-09-29 | — | — | US | disclosed |
| US-5792780-A | FUNGICIDES | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1998-08-11 | — | — | US | disclosed |